(2-chloranyl-4-nitro-phenyl)-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazino]methanone Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN5O4/c1-32-17-4-2-3-15(13-17)20-7-8-21(25-24-20)26-9-11-27(12-10-26)22(29)18-6-5-16(28(30)31)14-19(18)23/h2-8,13-14H,9-12H2,1H3